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Compile Data Set for Download or QSAR

Found 6 hits of ic50 data for polymerid = 50004151   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serine/threonine-protein kinase ULK1


(Homo sapiens)
BDBM50111577
PNG
(CHEMBL3605055)
Show SMILES C1CC(C1)c1cc(Nc2nc(Nc3ccc4[nH]cnc4c3)nc3ccccc23)n[nH]1
Show InChI InChI=1S/C22H20N8/c1-2-7-16-15(6-1)21(27-20-11-18(29-30-20)13-4-3-5-13)28-22(26-16)25-14-8-9-17-19(10-14)24-12-23-17/h1-2,6-13H,3-5H2,(H,23,24)(H3,25,26,27,28,29,30)
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n/an/a 5.30n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of SUMO-tagged ULK1 (unknown origin) kinase domain expressed in KRX cells using [32P]-gamma-ATP and myelin basic protein substrate incubat...


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More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens)
BDBM50111575
PNG
(CHEMBL3603853)
Show SMILES Ic1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCCNC(=O)C1CC1
Show InChI InChI=1S/C22H28IN7O2/c23-18-14-26-21(29-19(18)24-9-4-10-25-20(31)15-7-8-15)27-16-5-3-6-17(13-16)28-22(32)30-11-1-2-12-30/h3,5-6,13-15H,1-2,4,7-12H2,(H,25,31)(H,28,32)(H2,24,26,27,29)
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n/an/a 67n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of SUMO-tagged ULK1 (unknown origin) kinase domain expressed in KRX cells using [32P]-gamma-ATP and myelin basic protein substrate incubat...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens)
BDBM17051
PNG
(BX-795 | BX-795, 3 | N-(3-{[5-iodo-4-({3-[(thiophe...)
Show SMILES Ic1cnc(Nc2cccc(NC(=O)N3CCCC3)c2)nc1NCCCNC(=O)c1cccs1
Show InChI InChI=1S/C23H26IN7O2S/c24-18-15-27-22(30-20(18)25-9-5-10-26-21(32)19-8-4-13-34-19)28-16-6-3-7-17(14-16)29-23(33)31-11-1-2-12-31/h3-4,6-8,13-15H,1-2,5,9-12H2,(H,26,32)(H,29,33)(H2,25,27,28,30)
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n/an/a 87n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of SUMO-tagged ULK1 (unknown origin) kinase domain expressed in KRX cells using [32P]-gamma-ATP and myelin basic protein substrate incubat...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens)
BDBM50111573
PNG
(CHEMBL3605056)
Show SMILES NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I
Show InChI InChI=1S/C18H24IN7O/c19-15-12-22-17(25-16(15)21-8-4-7-20)23-13-5-3-6-14(11-13)24-18(27)26-9-1-2-10-26/h3,5-6,11-12H,1-2,4,7-10,20H2,(H,24,27)(H2,21,22,23,25)
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n/an/a 120n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of SUMO-tagged ULK1 (unknown origin) kinase domain expressed in KRX cells using [32P]-gamma-ATP and myelin basic protein substrate incubat...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Serine/threonine-protein kinase ULK1


(Homo sapiens)
BDBM50111572
PNG
(CHEMBL3605057)
Show SMILES O=C(NCCCNc1nc(Nc2cccc(CN3CCOCC3)c2)ncc1C1CC1)C1CCC1
Show InChI InChI=1S/C26H36N6O2/c33-25(21-5-2-6-21)28-11-3-10-27-24-23(20-8-9-20)17-29-26(31-24)30-22-7-1-4-19(16-22)18-32-12-14-34-15-13-32/h1,4,7,16-17,20-21H,2-3,5-6,8-15,18H2,(H,28,33)(H2,27,29,30,31)
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n/an/a 170n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of SUMO-tagged ULK1 (unknown origin) kinase domain expressed in KRX cells using [32P]-gamma-ATP and myelin basic protein substrate incubat...


Citation and Details
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase ULK1


(Homo sapiens)
BDBM50135286
PNG
(CHEMBL3745885)
Show SMILES Cn1c2nc(Nc3ccc4[nH]ccc4c3)ncc2cc(c1=O)S(=O)(=O)c1ccc(F)cc1F
Show InChI InChI=1S/C22H15F2N5O3S/c1-29-20-13(9-19(21(29)30)33(31,32)18-5-2-14(23)10-16(18)24)11-26-22(28-20)27-15-3-4-17-12(8-15)6-7-25-17/h2-11,25H,1H3,(H,26,27,28)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Icahn School of Medicine at Mount Sinai

Curated by ChEMBL


Assay Description
Inhibition of human ULK1 using MBP substrate


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Ligand-Target Pair